Understanding resistance mechanism of protoporphyrinogen oxidase-inhibiting herbicides: Insights from computational mutation scanning and site-directed mutagenesis
NSFCNational Natural Science Foundation of China (NSFC) [21202055, 20120144120003, XJ2012020]; Guangdong Province Key Laboratory of Computational Science
机构署名：
本校为第一机构
院系归属：
化学学院
摘要：
The potential of protoporphyrinogen oxidase (PPO) to develop resistance against five PPO-inhibiting herbicides has been studied using computational mutation scanning (CMS) protocol, leading to valuable insights into the resistance mechanisms and structure-resistance relationship of the PPO inhibitors. The calculated shifts in the binding free energies caused by the mutations correlated very well with those derived from the corresponding experimental data obtained from site-directed mutagenesis of PPO, leading to valuable insights into the resistance mechanisms of PPO inhibitors. The calculated...
